全部搜尋項
buster  ] [  bullseye  ] [  bookworm  ] [  trixie  ] [  sid  ]
[ 原始碼:  ]

套件:libindigo0d(1.2.3-3.1) [debports]

libindigo0d 的相關連結

Screenshot

Debian 的資源:

下載原始碼套件

未找到

維護小組:

外部的資源:

相似套件:

Organic Chemistry Toolkit

Indigo is a C++ based organic chemistry and cheminformatics software environment. Features Include:

 * Molecule and reaction rendering including SVG support
 * Automatic layout for SMILES-represented molecules and reactions
 * Canonical (isomeric) SMILES computation
 * Exact matching, substructure matching, SMARTS matching
 * Matching of tautomers and resonance structures
 * Molecule fingerprinting, molecule similarity computation
 * Fast enumeration of SSSR rings, subtrees, and edge sugraphs
 * Molecular weight, molecular formula computation
 * R-Group deconvolution and scaffold detection
 * Computation of the exact maximum common substructure for an
   arbitrary amount of input structures
 * Combinatorial chemistry * Plugin support in the API

File formats Indigo support include MDL Mol, SDF, RDF, CML, SMILES and SMARTS.

其他與 libindigo0d 有關的套件

  • 依賴
  • 推薦
  • 建議
  • 增強

下載 libindigo0d

下載可用於所有硬體架構的
硬體架構 套件大小 安裝後大小 檔案
alpha (非官方移植版) 2,166。1 kB9,072。0 kB [檔案列表]